Isotope effects on chemical shifts of proteins and peptides

✍ Scribed by Poul Erik Hansen

• Publisher: John Wiley and Sons
• Year: 2000
• Tongue: English
• Weight: 140 KB
• Volume: 38
• Category: Article
• ISSN: 0749-1581
• DOI: 10.1002/(sici)1097-458x(200001)38:1<1::aid-mrc594>3.0.co;2-4

✦ Synopsis

Isotope effects on chemical shifts, n  13 C(D), n  1 H(D), 1  15 N(D) and 1  13 C( 18 O), and solvent isotope effects in proteins are reviewed and references are provided to related cases. The isotope effects included are motivated by the effects occurring in perdeuterated proteins and effects of 13 C and 15 N labelling combined with effects of an H 2 O-D 2 O mixture. The focus is on structural information. The following isotope effects depend on structure: 1  15 N(D), 1  13 C(D), 2  13 C-˛(ND), 3  13 C-˛(ND) and 3  13 C-ˇ(ND). Equilibrium isotope effects on chemical shifts are briefly discussed by the elegant use of 1  13 C 18 O and 1  13 C 15 N in the determination of pK a values. Ab initio calculations of isotope effects show promise both in traditional cases and for describing the new type of isotope effects observed in paramagnetic proteins.